| CAS Number | 1172377-46-6 |
| Catalog Number | AG019LFI(AGN-PC-0WO783) |
| Chemical Name | 2-(5-Amino-1-isopropyl-1h-pyrazol-4-yl)-1,1,1-trifluoropropan-2-ol |
| IUPAC Name | 2-(5-amino-1-propan-2-ylpyrazol-4-yl)-1,1,1-trifluoropropan-2-ol |
| InChI | InChI=1S/C9H14F3N3O/c1-5(2)15-7(13)6(4-14-15)8(3,16)9(10,11)12/h4-5,16H,13H2,1-3H3 |
| InChI Key | SGQRRCWCUPKHQG-UHFFFAOYSA-N |
| MDL Number | MFCD09971389 |
| Molecular Formula | C9H14F3N3O |
| Molecular Weight | 237.2222 |
| SMILES | CC(N1C(N)=C(C(C(F)(F)F)(O)C)C=N1)C |
| Synonyms | 2-[5-amino-1-(propan-2-yl)-1H-pyrazol-4-yl]-1,1,1-trifluoropropan-2-ol,
1172377-46-6,
2-(5-amino-1-isopropyl-1H-pyrazol-4-yl)-1,1,1-trifluoropropan-2-ol,
AC1Q1Q3T,
CTK6A9806,
AKOS023166267,
MCULE-3779727814,
NE19830,
EN300-31085,
Z56658514,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.226g/mol |
| Monoisotopic Mass | 237.109g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number